MolNFT v1 · #51583 · protein
Riboflavin kinase MJ0056 from methanocaldococcus jannaschii in complex with PO4
2VBS: “Riboflavin kinase MJ0056 from methanocaldococcus jannaschii in complex with PO4”. X-ray diffraction, 3 ligands (ZN, CL, PO4), 3 pockets (best druggability 0.41). MolNFT v1 #51583 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2VBS
- Type
- protein
- Length
- 132 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Riboflavin kinase
- EC
- 2.7.1.161
- UniProt
- Q60365
- Ligands
- ZN, CL, PO4
- Pockets
- 3 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Riboflavin kinase (EC 2.7.1.161) | protein | 132 | 17% helix, 38% strand | Q60365 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.41 | 0.80 | 21 | empty |
| 2 | 63 | 0.39 | 0.80 | 22 | CL |
| 3 | 69 | 0.33 | 0.75 | 15 | PO4, ZN |
Compared structures
- 2VBS · Riboflavin kinase Mj0056 from Methanocaldococcus jannaschii in complex with PO4 · the same entry in another collection · chain A against A, TM-score 1.00
- Q60365 · AlphaFold monomer V2.0 prediction for riboflavin kinase (Q60365) · a predicted model of the same protein · chain A against A, TM-score 0.91
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q60365
- Elsewhere: RCSB PDB 2VBS · PDBe 2VBS · UniProt Q60365
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